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CHEBI:227409 - Arthrosporol B

ChEBI IDCHEBI:227409
ChEBI NameArthrosporol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O6
Net Charge0
Average Mass392.492
Monoisotopic Mass392.21989
SMILESCC(=C[C@H](O)[C@]12O[C@H]1[C@H](O)C(CO)=C[C@@H]2O)/C=C/[C@H]1C(C)=CC[C@@H](O)C1(C)C
InChIInChI=1S/C22H32O6/c1-12(5-7-15-13(2)6-8-16(24)21(15,3)4)9-17(25)22-18(26)10-14(11-23)19(27)20(22)28-22/h5-7,9-10,15-20,23-27H,8,11H2,1-4H3/b7-5+,12-9?/t15-,16+,17-,18-,19+,20-,22+/m0/s1
InChIKeyMFBZDUOKEXHQGD-XORNZYKVSA-N
Species of MetaboliteComponentSourceComments
Orbilia oligospora (ncbitaxon:2813651) - PubMed (22768791)
ChEBI Ontology
Outgoing Relation(s)
Arthrosporol B (CHEBI:227409) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,2S,5R,6S)-1-[(1S,4E)-1-hydroxy-5-[(1S,5R)-5-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3-methylpenta-2,4-dienyl]-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol
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78441444ChemSpider